Basic information
- Standard SMILES
CCCCCCCCCCC(OS(=O)(=O)c1ccc(C)cc1)C(=O)O- InChIKey
KITLYRIFSBAGSJ-UHFFFAOYSA-N- Molecular formula
- C19H30O5S
- Average molar mass
- 370.5 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methylphenyl)sulfonyloxydodecanoic acid
- IUPAC
- 2-(4-methylphenyl)sulfonyloxydodecanoic acid
Names & synonyms
SCHEMBL10809966
Database identifiers
- PubChem CID
- 20165270
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 461
Related reactions
1 records
Compound notes
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